3-aminoxanthen-9-one

C13H9NO2 — CID 14920118

IUPAC3-aminoxanthen-9-one
SMILESNc1ccc2c(=O)c3ccccc3oc2c1
InChIInChI=1S/C13H9NO2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7H,14H2
InChIKeyVKZNAWRORNRNLN-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.53
Rot. Bonds

About 3-aminoxanthen-9-one

3-aminoxanthen-9-one (PubChem CID 14920118) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-aminoxanthen-9-one.

Molecular Properties

Compound Name3-aminoxanthen-9-one
PubChem CID14920118
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name3-aminoxanthen-9-one
SMILESNc1ccc2c(=O)c3ccccc3oc2c1
InChIInChI=1S/C13H9NO2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7H,14H2
InChIKeyVKZNAWRORNRNLN-UHFFFAOYSA-N
XLogP2.53
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-aminoxanthen-9-one?
The IUPAC name of 3-aminoxanthen-9-one (CID 14920118) is 3-aminoxanthen-9-one.
What is the SMILES notation for 3-aminoxanthen-9-one?
The canonical SMILES for 3-aminoxanthen-9-one is Nc1ccc2c(=O)c3ccccc3oc2c1.
What is the InChIKey of 3-aminoxanthen-9-one?
The InChIKey is VKZNAWRORNRNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15/h1-7H,14H2.
What are the key properties of 3-aminoxanthen-9-one?
3-aminoxanthen-9-one has a molecular weight of 211.22 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoxanthen-9-one is sourced from PubChem (CID 14920118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).